2-ethoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]benzene-1,4-diamine

C14H22N2O2 — CID 114465365

IUPAC2-ethoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]benzene-1,4-diamine
SMILESC=C(C)COCCNc1ccc(N)c(OCC)c1
InChIInChI=1S/C14H22N2O2/c1-4-18-14-9-12(5-6-13(14)15)16-7-8-17-10-11(2)3/h5-6,9,16H,2,4,7-8,10,15H2,1,3H3
InChIKeyATKLFEIPUVHEAC-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.67
Rot. Bonds8

About 2-ethoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]benzene-1,4-diamine

2-ethoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]benzene-1,4-diamine (PubChem CID 114465365) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-ethoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]benzene-1,4-diamine
PubChem CID114465365
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-ethoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]benzene-1,4-diamine
SMILESC=C(C)COCCNc1ccc(N)c(OCC)c1
InChIInChI=1S/C14H22N2O2/c1-4-18-14-9-12(5-6-13(14)15)16-7-8-17-10-11(2)3/h5-6,9,16H,2,4,7-8,10,15H2,1,3H3
InChIKeyATKLFEIPUVHEAC-UHFFFAOYSA-N
XLogP2.67
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]-4-nitroaniline
CID 115698526
2-amino-5-[2-(2-methylprop-2-enoxy)ethylamino]benzonitrile
CID 114465249
2-ethoxy-4-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 63671672
2-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]benzenesulfonamide
CID 114465302
2-ethoxy-4-N-(3-phenoxypropyl)benzene-1,4-diamine
CID 63676287
4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine
CID 63670004
ethyl 2-(4-amino-3-ethoxyanilino)acetate
CID 63670664
4-N-(2-cyclobutylethyl)-2-ethoxybenzene-1,4-diamine
CID 113478541
2-(4-amino-3-ethoxyanilino)-N-ethylethanesulfonamide
CID 106334327
1-(4-amino-3-ethoxyanilino)pentan-2-ol
CID 113495527
2-amino-6-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 114464773
2-(3-methoxypropoxy)-4-N-propylbenzene-1,4-diamine
CID 89075678

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]benzene-1,4-diamine?
The IUPAC name of 2-ethoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]benzene-1,4-diamine (CID 114465365) is 2-ethoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 2-ethoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]benzene-1,4-diamine?
The canonical SMILES for 2-ethoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]benzene-1,4-diamine is C=C(C)COCCNc1ccc(N)c(OCC)c1.
What is the InChIKey of 2-ethoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]benzene-1,4-diamine?
The InChIKey is ATKLFEIPUVHEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-18-14-9-12(5-6-13(14)15)16-7-8-17-10-11(2)3/h5-6,9,16H,2,4,7-8,10,15H2,1,3H3.
What are the key properties of 2-ethoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]benzene-1,4-diamine?
2-ethoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]benzene-1,4-diamine has a molecular weight of 250.34 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 114465365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).